Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 19/20 | 0.79 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.53 |
| ▸ | PRKDC | P78527 | 1/20 | 0.52 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3059300 | 0.88 | ATR (1.00) | ATRPRKDC | |
| SCHEMBL13138260 | 0.82 | ATR (1.00) | ATR | |
| SCHEMBL2483511 | 0.81 | ATR (0.76) | ATRPRKDC | |
| SCHEMBL16489083 | 0.81 | ATR (0.62) | ATRKCNH2PRKDC | |
| SCHEMBL2510299 | 0.80 | ATR (1.00) | ATRPRKDC | |
| SCHEMBL2482117 | 0.79 | ATR (0.66) | ATRKCNH2PRKDC | |
| SCHEMBL13138257 | 0.79 | ATR (1.00) | ATRPRKDC | |
| SCHEMBL13138220 | 0.78 | ATR (1.00) | ATRPRKDC | |
| SCHEMBL3048753 | 0.76 | ATR (0.67) | ATRPRKDC | |
| SCHEMBL20433673 | 0.76 | ATR (0.71) | ATRPRKDC |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010071837-A1 | PYRAZINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-06-24 | — | — | WO | disclosed |